CAS RN: 131-17-9
Diallyl Phthalate
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
- Product code: SSC-037600
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 500g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 500g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
131-17-9 / bis(prop-2-enyl) benzene-1,2-dicarboxylate
Basic Information
CAS
131-17-9
Multi CAS
No
Molecular Formula
C14H14O4
Molecular Weight
246.260000
Exact Mass
246.089209
SMILES
C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C
InChI
InChI=1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2
InChIKey
QUDWYFHPNIMBFC-UHFFFAOYSA-N
Physical Properties
Melting Point
-94 °F (NTP, 1992)
freezing point: -70 °C
-70 °C
Boiling Point
554 °F at 760 mmHg (NTP, 1992)
158-165 °C at 4 mm Hg
290 °C
Density
1.12 at 68 °F (NTP, 1992) - Denser than water; will sink
1.120 at 20 °C/20 °C
Relative density (water = 1): 1.1
Physical Description
Diallyl phthalate is a clear pale-yellow liquid. Odorless. (NTP, 1992)
Liquid; Pellets or Large Crystals, Liquid
Clear liquid; [Hawley] Slightly yellow;
COLOURLESS LIQUID.
Appearance
Nearly colorless, oily liquid
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this chemical under refrigerated temperatures, and keep it away from oxidizing materials. (NTP, 1992)
Separated from strong oxidants, strong bases and acids. Store only if stabilized. Store in an area without drain or sewer access.
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
67.4
TPSA
52.6
LogP / Solubility
WLOGP
2.37
MLOGP
2.09
XLogP3
3.2
Consensus LogP
2.55
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Health Hazard
Signal
Warning
Danger
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral]
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
H302+H332 (17.7%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
H302 (96.2%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, P391, and P501
P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, P391, and P501
P260, P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P308+P316, P317, P319, P321, P330, P333+P317, P362+P364, P391, P405, and P501
P203, P260, P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P308+P316, P317, P318, P319, P321, P330, P333+P317, P362+P364, P405, and P501
Hazard Class/Division
9
Packing Group
III
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